Monomers
Fumaric acid, di(2-methoxyethyl) ester
Identifiers
IUPAC name
bis(2-methoxyethyl) (E)-but-2-enedioate
InchI
InChI=1S/C10H16O6/c1-13-5-7-15-9(11)3-4-10(12)16-8-6-14-2/h3-4H,5-8H2,1-2H3/b4-3+
InchI Key
INJVHPRSHKTTBD-ONEGZZNKSA-N
SMILES
COCCOC(=O)/C=C/C(=O)OCCOC
Canonical SMILES
COCCOC(=O)C=CC(=O)OCCOC
Isomeric SMILES
COCCOC(=O)/C=C/C(=O)OCCOC
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C10H16O6
Heavy Atom Count
16
Molecular Weight
232.232
Exact Molecular Weight
232.0947
Valence Electrons
92
Radical Electrons
0
tPSA
71.06
MolLogP
-0.0782
H Bond Acceptors
6
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0
MOL File
RDKit 3D
32 31 0 0 0 0 0 0 0 0999 V2000
-6.2437 0.4886 -1.4055 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0668 -0.2148 -0.2416 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7688 -0.3894 0.1706 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0605 0.8977 0.4220 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7390 0.7261 0.8449 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7715 0.0972 0.0797 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0495 -0.3561 -1.0604 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4055 -0.0679 0.5499 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5120 -0.6652 -0.1775 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8870 -0.8051 0.3520 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1857 -0.3592 1.4884 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8837 -1.4201 -0.3655 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2048 -1.6291 -0.0248 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0478 -0.4282 0.2167 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6382 0.4074 1.2344 O 0 0 0 0 0 0 0 0 0 0 0 0
5.5290 1.4582 1.3150 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8546 1.5102 -1.3679 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.3491 0.5464 -1.5794 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8298 -0.1153 -2.2347 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1978 -1.0104 -0.5611 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7964 -1.0102 1.1129 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5913 1.4759 1.2059 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0211 1.4887 -0.5174 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1499 0.3135 1.5218 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3212 -1.0685 -1.1576 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6660 -2.1939 -0.8920 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3403 -2.3488 0.8285 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1863 0.1390 -0.7525 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0980 -0.7699 0.4564 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5545 2.0292 0.3456 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2860 2.1758 2.1218 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5548 1.0982 1.4878 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 1 0
4 5 1 0
5 6 1 0
6 7 2 0
6 8 1 0
8 9 2 3
9 10 1 0
10 11 2 0
10 12 1 0
12 13 1 0
13 14 1 0
14 15 1 0
15 16 1 0
1 17 1 0
1 18 1 0
1 19 1 0
3 20 1 0
3 21 1 0
4 22 1 0
4 23 1 0
8 24 1 0
9 25 1 0
13 26 1 0
13 27 1 0
14 28 1 0
14 29 1 0
16 30 1 0
16 31 1 0
16 32 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers